Leela Sarath Kumar Konda

A seasoned Computational chemist with more than a decade of expertise in utilizing cutting-edge predictive and generative drug discovery techniques, skilled in ligand and structure-based approaches, and adept in chemical database management and Python programming. Fueled by a passion for advancing the field and driven to make a difference in drug discovery.

⚛ Computational chemistry: virtual screening, structure-based drug design, ligand-based drug design, QSAR modelling, homology modelling, molecular modelling, hit identification, hit expansion, hit-to-lead optimization, selectivity analysis, and many more. 

💻 Informatics and AI: predictive and generative modeling (reinforcement learning, LSTM, RNN, GCN and etc), statistical analysis, data analysis, chemical database management, and software/pipeline development.

❶ Research Scientist (Hybrid) – PharmCADD, Busan, South Korea Nov 2022 – Till to date

• Successfully delivered multiple lead candidates for SARS-CoV and Neurofibromas using the deployed AI drug discovery pipeline.
• Working on developing, deploying, and maintaining machine learning/deep learning models for various endpoints and establishing and validating DL strategies for De novo drug design.
• Optimizing and automating the processes.

❷ Research Scientist – PharmCADD, Hyderabad, India Oct 2021 – Oct 2022

• Expertly developed, deployed, and maintaining AI drug discovery pipeline to generate novel drug-like molecules.
• Successfully developed, deployed, and maintained machine learning and deep learning models for ADMET and target endpoint predictions.
• Validated deep learning and machine learning strategies for De novo drug design through generative modeling and optimized processes through automation.
• Adeptly executed RNA-drug design and modeling, including 2D structure prediction, binding site analysis and characterization, De novo drug design, and established molecular docking workflows.
• Applied deterministic, stochastic, and neural net approaches to codon optimization and vaccine design, demonstrating a deep understanding of these complex processes.
• Efficiently developed, deployed, and maintaining a tool for vaccine design at codon level.

❸ Jubilant Biosys Ltd, Bangalore, India - Senior Research Associate Jul 2021 – Oct 2021

• Provided computational chemistry support to various Medical Chemistry projects, resulting in the delivery of 1 successful preclinical candidate and numerous lead compounds with the help of DL models in the CNS area.
• Implemented a Structure-based approach for generative modeling using reinforcement learning to generate new drug-like molecules. Conducted predictive modeling using AutoML, pycaret, scikit, DeepChem, Pytorch, and Tensorflow packages for endpoint and ADMET predictions and optimized processes through automation.
• Successfully executed multi-objective SAR design and managed chemical data curation and analysis, chemical database management, and project proposals for new targets.

❹ Research Associate – Jubilant Biosys Ltd, Bangalore, India Jul 2019 – Jul 2021

• Provided valuable support to multiple projects resulting in the delivery of 3 clinical candidates using ML/DL models along with native methods in autoimmune and anticancer areas.
• Proficient in the implementation of machine learning and deep learning approaches, as well as in selectivity analysis and toxicity mitigation. Adept in process optimization and automation, endpoint and ADMET predictions, library enumeration, molecular dynamics simulations, and project proposals for new targets.
• Solely responsible for generating over $380,000 in department revenue in a financial year.

❺ Junior Research Associate – Jubilant Biosys Ltd, Bangalore, India Jul 2016 – Jul 2019

• Provided support to medicinal chemistry projects. Contributed to multiple successful projects and was proficient in virtual screening, structure-based and ligand-based drug design, SAR review, hit identification, and lead optimization.
• Adept in utilizing computational tools to aid in drug discovery and development. Committed to producing high-quality results and contributing to the success of projects.

❻ Medical Coder – e4e Healthcare Business Services, Chennai, India Jul 2015 – Jun 2016

• Experienced Medical Coder in Evaluation and Management, adept in analysis, coding, training, and client relationship building.
• Resulted in increased customer satisfaction and repeat business.

❼ Computational Chemist – Persistent Systems, Pune, India Nov 2013 – Jul 2014

• Successfully developed QSAR models to predict skin sensitization and defined structural alerts and similarity measures for an in-house data set. Expertly integrated QSAR models with structural alerts and similarity rules to achieve a higher prediction rate for new molecules.
• Developed SkinSense – a tool that can predict skin sensitization of molecules by analyzing their reaction mechanisms. Conducted thorough molecular docking studies to further understand skin sensitization.

❽ Associate Editor – Journal of Pharmacy & Molecular Biology, Vijayawada, India Jun 2013 – Jun 2015

• Assisted in editing and proofreading in-house and freelance work, collaborated with authors and proofreaders to ensure correct text, participated in meetings and book launches and worked with the art director to improve the design. Strong commitment to high-quality results and attention to detail.

❾ Research Intern Computational Chemist – Persistent Systems, Pune, India Jan 2013 – Oct 2013

• Successfully completed a Structure-Based Prediction of Skin Sensitization Potential project, contributing to software development.
• Developed multiple ML-based QSAR models. Involved in the collection, compilation, and standardization of datasets, ensuring accuracy and consistency

❶ Master of Science in Pharmacoinformatics - 8.58 CGPA, National Institute of Pharmaceutical Education and Research (NIPER), Hajipur, India 2011 - 2013

❷ Bachelor of Pharmacy in Pharmaceutical Sciences ‑ 78.7%, Acharya Nagarjuna University (ANU), Guntur, India 2007 - 2011